SCHEMBL8939638

SCHEMBL8939638

CC(=O)Oc1ccc(C(c2ccc(OC(C)=O)cc2)c2ccccc2S(=O)(=O)N2CCC(c3ccccc3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.49
MMP13 P45452 1/20 0.49
USP5 P45974 8/20 0.42
LMNA P02545 3/20 0.41
TSHR P16473 3/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC6 Q9UBN7 2/20 0.41
USP2 O75604 1/20 0.40
SLC18A3 Q16572 3/20 0.40
MMP3 P08254 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ABCB11 O95342 1/20 0.39
ESR1 P03372 1/20 0.39
CYP3A4 P08684 1/20 0.39
ADRA2A P08913 1/20 0.39
CYP2C9 P11712 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8939603 0.85 TSHR (0.48) LMNATSHRMEN1ALDH1A1HTT
SCHEMBL8939721 0.80 HSD11B1 (0.44) LMNATSHRMEN1ALDH1A1HTT
SCHEMBL8939613 0.77 KMT2A (0.56) LMNATSHRMEN1ALDH1A1MAPK1
SCHEMBL8939673 0.74 LMNA (0.50) LMNATSHRMEN1ALDH1A1KMT2A
SCHEMBL8939658 0.72 ALDH1A1 (0.44) LMNATSHRMEN1ALDH1A1HTT
SCHEMBL8939637 0.72 ALDH1A1 (0.44) LMNATSHRMEN1ALDH1A1HTT
SCHEMBL8939608 0.72 ALDH1A1 (0.44) LMNATSHRMEN1ALDH1A1HTT
SCHEMBL8939645 0.71 KMT2A (0.55) LMNAMEN1ALDH1A1HTTKMT2A
SCHEMBL9019620 0.71 KDM4E (0.40) LMNATSHRMEN1ALDH1A1KMT2A
SCHEMBL8939597 0.70 LMNA (0.46) LMNATSHRMEN1ALDH1A1HTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0626369-B1 BENZENESULFONAMIDE DERIVATIVE KYOWA HAKKO KOGYO KK (JP) 1996-09-18 EP disclosed
US-5523464-A BONE DISORDERS KYOWA HAKKO KOGYO CO., LTD. (JP) 1996-06-04 US disclosed
EP-0626369-A1 BENZENESULFONAMIDE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 1994-11-30 EP disclosed